(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide

C17H22ClN3O2 — CID 124831914

IUPAC(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2/c1-13(17(22)20(2)9-3-8-19)21-10-11-23-16(12-21)14-4-6-15(18)7-5-14/h4-7,13,16H,3,9-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyFRVIKRXZTWPNKD-CZUORRHYSA-N
MW335.84 g/mol
LogP2.47
Rot. Bonds5

About (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide

(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 124831914) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID124831914
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2/c1-13(17(22)20(2)9-3-8-19)21-10-11-23-16(12-21)14-4-6-15(18)7-5-14/h4-7,13,16H,3,9-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyFRVIKRXZTWPNKD-CZUORRHYSA-N
XLogP2.47
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124569493
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86909810
N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
CID 110880195
3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124573621
4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide
CID 56577901
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55827029
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
2-(4-chloroanilino)-N-(2-cyanoethyl)-N-methylpropanamide
CID 86910162
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide (CID 124831914) is (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide is C[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is FRVIKRXZTWPNKD-CZUORRHYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-13(17(22)20(2)9-3-8-19)21-10-11-23-16(12-21)14-4-6-15(18)7-5-14/h4-7,13,16H,3,9-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 335.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 124831914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).